(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone

C21H25Cl2O2P — CID 18514057

IUPAC(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone
SMILESCC(CC(C)(C)C)CP(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C21H25Cl2O2P/c1-15(13-21(2,3)4)14-26(25,16-9-6-5-7-10-16)20(24)19-17(22)11-8-12-18(19)23/h5-12,15H,13-14H2,1-4H3
InChIKeyILHWLVFMRYTOHL-UHFFFAOYSA-N
MW411.31 g/mol
LogP6.89
Rot. Bonds6

About (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone

(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone (PubChem CID 18514057) has the molecular formula C21H25Cl2O2P and a molecular weight of 411.31 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone
PubChem CID18514057
Molecular FormulaC21H25Cl2O2P
Molecular Weight411.31 g/mol
Exact Mass410.10
IUPAC Name(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone
SMILESCC(CC(C)(C)C)CP(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C21H25Cl2O2P/c1-15(13-21(2,3)4)14-26(25,16-9-6-5-7-10-16)20(24)19-17(22)11-8-12-18(19)23/h5-12,15H,13-14H2,1-4H3
InChIKeyILHWLVFMRYTOHL-UHFFFAOYSA-N
XLogP6.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.31
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2,6-dichlorobenzoyl)-(2,4,4-trimethylpentyl)phosphanyl]-(2,6-dichlorophenyl)methanone
CID 134205727
propan-2-yl 3-[(2-chloro-6-methylbenzoyl)-phenylphosphoryl]propanoate
CID 172747267
(2-chloro-6-methoxyphenyl)-[phenyl(propyl)phosphoryl]methanone
CID 18514206
2,4,4-trimethylpentyl 3-(2-chloro-6-methoxyphenyl)-3-oxo-2-phenylpropanoate
CID 18514795
[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
CID 141389570
[(2-methoxy-6-methylbenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2-methoxy-6-methylphenyl)methanone
CID 164973475
(2,6-dichlorophenyl)-(2,4,4-trimethylpentylphosphanylidene)methanolate
CID 141022998
[3,4-bis(2,6-dimethoxybenzoyl)-5-[phenyl(2,4,4-trimethylpentyl)phosphoryl]-2-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 158246107
[(2,6-dichlorobenzoyl)-propylphosphoryl]-(2,6-dichlorophenyl)methanone;oxophosphane
CID 139438356
(4-tert-butyl-2,6-dimethylphenyl)-[ethyl(phenyl)phosphoryl]methanone
CID 18513883
pentyl 2-[(2-chloro-6-methoxybenzoyl)-phenylphosphoryl]acetate
CID 172720574
2-[[[2-(2-chlorophenyl)acetyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473834

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone?
The IUPAC name of (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone (CID 18514057) is (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone?
The canonical SMILES for (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone is CC(CC(C)(C)C)CP(=O)(C(=O)c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone?
The InChIKey is ILHWLVFMRYTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2O2P/c1-15(13-21(2,3)4)14-26(25,16-9-6-5-7-10-16)20(24)19-17(22)11-8-12-18(19)23/h5-12,15H,13-14H2,1-4H3.
What are the key properties of (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone?
(2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone has a molecular weight of 411.31 g/mol, XLogP of 6.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[phenyl(2,4,4-trimethylpentyl)phosphoryl]methanone is sourced from PubChem (CID 18514057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).